SCHEMBL21496689

SCHEMBL21496689

COC(=O)c1cccc2c1CN(c1ccc3cc(C(F)(F)F)ccc3n1)C2(C)C

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC11 Q96DB2 12/20 0.70
HDAC8 Q9BY41 2/20 0.55
CFTR P13569 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
SYK P43405 2/20 0.37
MCHR1 Q99705 2/20 0.37
PDK2 Q15119 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21496844 0.89 HDAC11 (0.88) HDAC11HDAC8HRH3
SCHEMBL30039395 0.89 HDAC11 (0.88) HDAC11HDAC8HRH3
SCHEMBL21496686 0.89 HDAC11 (0.69) HDAC11HDAC8HRH3
SCHEMBL25932170 0.87 HDAC11 (0.54) HDAC11HDAC8
SCHEMBL21496793 0.86 HDAC11 (0.58) HDAC11HDAC8SYKPDK2
SCHEMBL30039305 0.82 HDAC11 (1.00) HDAC11HDAC8
SCHEMBL21500628 0.82 HDAC11 (1.00) HDAC11HDAC8
SCHEMBL21496730 0.82 HDAC11 (0.81) HDAC11HDAC8
SCHEMBL25932180 0.81 HDAC11 (0.52) HDAC11HDAC8
SCHEMBL21496702 0.80 HDAC11 (0.81) HDAC11HDAC8CFTRSYK

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230242512-A1 ISOINDOLINES AS HDAC INHIBITORS VALO HEALTH, INC. 2023-08-03 US disclosed
US-20230242512-A1 ISOINDOLINES AS HDAC INHIBITORS VALO HEALTH, INC. 2023-08-03 US disclosed
US-11535607-B2 Isoindolines as HDAC inhibitors VALO HEALTH, INC. (US) 2022-12-27 US disclosed
US-11535607-B2 Isoindolines as HDAC inhibitors VALO HEALTH, INC. (US) 2022-12-27 US disclosed
US-20210253555-A1 ISOINDOLINES AS HDAC INHIBITORS VALO EARLY DISCOVERY, INC. (US) 2021-08-19 US disclosed
US-20210253555-A1 ISOINDOLINES AS HDAC INHIBITORS VALO EARLY DISCOVERY, INC. (US) 2021-08-19 US disclosed
EP-3784654-A1 ISOINDOLINES AS HDAC INHIBITORS Valo Early Discovery, Inc. (US) 2021-03-03 EP disclosed
CN-112292370-A Isoindolines as HDAC inhibitors 瓦洛早期发现股份有限公司 2021-01-29 CN disclosed
WO-2019204550-A1 ISOINDOLINES AS HDAC INHIBITORS FORMA THERAPEUTICS, INC. (US) 2019-10-24 WO disclosed
WO-2019204550-A1 ISOINDOLINES AS HDAC INHIBITORS FORMA THERAPEUTICS, INC. (US) 2019-10-24 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11535607-B2 Isoindolines as HDAC inhibitors HDAC1, HDAC2, HDAC3 HDAC11 4/4885HDAC8 9/4885CFTR 4095/4885
US-20230242512-A1 ISOINDOLINES AS HDAC INHIBITORS HDAC1, HDAC2, HDAC3 HDAC11 4/4885HDAC8 9/4885CFTR 4093/4885
US-20210253555-A1 ISOINDOLINES AS HDAC INHIBITORS HDAC1, HDAC2, HDAC3 HDAC11 4/4885HDAC8 9/4885CFTR 4095/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.